Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6164576

CCOC(=O)c1c(-c2ccc(-c3cccnc3)cc2)c[nH]c1Cc1cccc(C(=N)N)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.46
PRSS1 P07477 9/20 0.46
F2 P00734 8/20 0.46
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
ALOX5 P09917 2/20 0.40
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL6165502 0.87 ALOX5 (0.41) F10PRSS1F2ALOX5PRSS2
Trifluoroacetic Acid SCHEMBL6163584 0.87 F10 (0.46) F10PRSS1F2ALOX5PRSS2
Trifluoroacetic Acid SCHEMBL6166404 0.83 PRSS1 (0.53) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6165958 0.82 PRSS1 (0.46) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6167982 0.82 F10 (0.42) F10PRSS1F2ALOX5PRSS2
Trifluoroacetic Acid SCHEMBL6161730 0.81 MAPT (0.49) F10PRSS1F2ALOX5PRSS2
Trifluoroacetic Acid SCHEMBL6166475 0.80 SMN1; SMN2 (0.53) F10PRSS1F2ALOX5PRSS2
Trifluoroacetic Acid SCHEMBL6165291 0.79 F10 (0.45) F10PRSS1F2CDC7DBF4
SCHEMBL6166441 0.79 MMP2 (0.42) ALOX5MMP2MMP13MMP14
Trifluoroacetic Acid SCHEMBL6162234 0.78 SMN1; SMN2 (0.48) F10PRSS1F2ALOX5PRSS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP claimed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP claimed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO claimed